SpectraBase Spectrum ID |
4Z5j18k6sAu |
Name |
1,4-Benzenedicarboxylic acid, 2-nitro-5-(propylthio)- |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C11H11NO6S |
InChI |
InChI=1S/C11H11NO6S/c1-2-3-19-9-5-6(10(13)14)8(12(17)18)4-7(9)11(15)16/h4-5H,2-3H2,1H3,(H,13,14)(H,15,16) |
InChIKey |
VOBACORIBBIPRH-UHFFFAOYSA-N |
Molecular Weight |
285.270 g/mol |
SMILES |
OC(c1cc(c(C(O)=O)cc1[N+]([O-])=O)SCCC)=O |
SPLASH |
splash10-004u-7490000000-1ce2863adf82c2e65cf7 |
Source of Spectrum |
JX-2015-2-1095 |
Synonyms |
2-Nitro-5-(propylthio)terephthalic acid
2-Nitro-5-(propylsulfanyl)benzene-1,4-dicarboxylic acid
2-Nitro-5-propylsulfanylterephthalic acid
2-Nitro-5-propylsulfanyl-terephthalic acid |
Wiley ID |
1722770 |